Geometry & MOs

Info

ID:	76740
PubChem CID:	48425312
Reduced:	F3N3O3C16H26 (1)
Stoich.:	A3B3C3D16E26 (1)
Weight, g/mol:	401.138483
ΔH_f, kcal/mol:	-302.45
Dipole, Da:	5.43
IP(EA), eV:	-9.02(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]phenyl]sulfanylacetonitrile

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations